3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea

Systemtic Name: 3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea Openeye Name: 3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea CAS Name: 3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methyl-1-[3-(4-methyl-1-piperazinyl)propyl]urea IUPAC Name: 3-[4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea Traditional Name: 3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-1-[3-(4-methylpiperazino)propyl]urea Formula: C21H27FN6O4 MolecularWeight: 446.475283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN1CCN(CC1)CCCN(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H27FN6O4/c1-25-10-12-27(13-11-25)9-3-8-26(2)21(29)24-20-15-17(6-7-23-20)32-19-5-4-16(28(30)31)14-18(19)22/h4-7,14-15H,3,8-13H2,1-2H3,(H,23,24,29)